{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.43856 0 0 ] "si-unit" "m" "si-value" [ 5.43856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00547847 5.34673 0 ] "si-unit" "m" "si-value" [ -5.47847e-13 5.34673e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698619 0.130192 5.52638 ] "si-unit" "m" "si-value" [ -6.986190000000001e-12 1.30192e-11 5.526379999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0176967 -0.0436428 -0.0335652 ] [ 1.35227 1.24207 1.37266 ] [ -0.0530244 2.758 2.7242 ] [ 1.3158 4.14206 3.88387 ] [ 2.73162 0.0656859 2.694 ] [ 4.07939 1.42095 3.99542 ] [ 2.69114 2.74306 -0.00706676 ] [ 4.05369 4.20359 1.27338 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.76967e-12 -4.36428e-12 -3.35652e-12 ] [ 1.35227e-10 1.24207e-10 1.37266e-10 ] [ -5.30244e-12 2.758e-10 2.7242e-10 ] [ 1.3158e-10 4.14206e-10 3.88387e-10 ] [ 2.73162e-10 6.568590000000001e-12 2.694e-10 ] [ 4.07939e-10 1.42095e-10 3.99542e-10 ] [ 2.69114e-10 2.74306e-10 -7.06676e-13 ] [ 4.05369e-10 4.20359e-10 1.27338e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6958188 0.8210551 -2.0911444 ] [ -0.8090315 2.1450054 -0.7598779 ] [ 0.3007358 -0.1992338 -1.9950042 ] [ -0.494417 -0.3864445 2.9603582 ] [ 0.7304411 0.328911 -0.0680468 ] [ -1.005361 0.5400348 1.9957458 ] [ 0.1565095 -0.7635242 -1.0682329 ] [ -0.5746958 -2.4858037 1.0262022 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.717001234473111e-09 1.315475285608606e-09 -3.350382668396844e-09 ] [ -1.296211354790755e-09 3.436677503369752e-09 -1.2174586060426e-09 ] [ 4.818318677975846e-10 -3.19207736433143e-10 -3.196349087637807e-09 ] [ -7.921433583260737e-10 -6.191523431367457e-10 4.743016697233571e-09 ] [ 1.170295653291435e-09 5.269735145239488e-10 -1.090229920802534e-10 ] [ -1.610765889664109e-09 8.652311309784039e-10 3.197537261819793e-09 ] [ 2.507558618330976e-10 -1.223300622655023e-09 -1.711497777949384e-09 ] [ -9.207641748319526e-10 -3.982696572038136e-09 1.644157173053526e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.826659 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.740063545117391e-18 } }